[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium

C17H17BrFN4O2+ — CID 8709245

IUPAC[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1F
InChIInChI=1S/C17H16BrFN4O2/c1-23(8-10-4-2-3-5-12(10)19)9-16(24)20-13-7-15-14(6-11(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25)/p+1
InChIKeyRBBPSJPLBGHCAB-UHFFFAOYSA-O
MW408.25 g/mol
LogP1.41
Rot. Bonds5

About [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium

[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8709245) has the molecular formula C17H17BrFN4O2+ and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8709245
Molecular FormulaC17H17BrFN4O2+
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC Name[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1F
InChIInChI=1S/C17H16BrFN4O2/c1-23(8-10-4-2-3-5-12(10)19)9-16(24)20-13-7-15-14(6-11(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25)/p+1
InChIKeyRBBPSJPLBGHCAB-UHFFFAOYSA-O
XLogP1.41
TPSA82.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium with MolForge

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Related Compounds

N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzamide
CID 1250694
N-(6-bromo-1,3-diethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-phenylpropanamide
CID 2972939
N-(6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-phenylpropanamide
CID 2978356
US11970474, Example 79
CID 149763876
2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2433563
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377750
N-[4-bromo-3-[4-[(4-fluorophenyl)methyl-methylamino]butylcarbamoylamino]phenyl]acetamide
CID 59862589
N-[4-bromo-3-[4-[2-(4-fluorophenyl)ethylamino]butylcarbamoylamino]phenyl]acetamide
CID 69111665
6-bromo-1-(3-fluorobenzyl)-1H-benzo[d]imidazol-2(3H)-one
CID 90413959
(5-bromo-6-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 117749654
(5-bromo-2,3-dihydro-1H-benzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 117749665
5-[[2-[4-(4-Ethyl-3,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 143766703

Frequently Asked Questions

What is the IUPAC name of [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8709245) is [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1F.
What is the InChIKey of [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is RBBPSJPLBGHCAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16BrFN4O2/c1-23(8-10-4-2-3-5-12(10)19)9-16(24)20-13-7-15-14(6-11(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25)/p+1.
What are the key properties of [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 408.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8709245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).